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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.50 7.09 -43.24 2 4 1 38 237.371 7 ↓
Mid Mid (pH 6-8) 0.50 8.9 -125.22 3 4 2 39 238.379 7 ↓
Mid Mid (pH 6-8) 0.50 9.41 -185.8 4 4 3 40 239.387 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.50 7.1 -43.25 2 4 1 38 237.371 7 ↓
Mid Mid (pH 6-8) 0.50 8.93 -124.91 3 4 2 39 238.379 7 ↓
Mid Mid (pH 6-8) 0.50 9.44 -188.5 4 4 3 40 239.387 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 7.84 -44.12 2 4 1 38 251.398 8 ↓
Mid Mid (pH 6-8) 1.00 8.35 -83.65 3 4 2 39 252.406 8 ↓
Mid Mid (pH 6-8) 1.00 9.65 -127.86 3 4 2 39 252.406 8 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 6.69 -48.95 2 4 1 38 251.398 8 ↓
Mid Mid (pH 6-8) 1.00 7.2 -86.46 3 4 2 39 252.406 8 ↓
Mid Mid (pH 6-8) 1.00 9.01 -125.58 3 4 2 39 252.406 8 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 7.61 -42.29 2 4 1 38 251.398 7 ↓
Mid Mid (pH 6-8) 1.14 8.12 -81.69 3 4 2 39 252.406 7 ↓
Mid Mid (pH 6-8) 1.14 9.43 -124.45 3 4 2 39 252.406 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 7.62 -41.82 2 4 1 38 251.398 7 ↓
Mid Mid (pH 6-8) 1.14 8.14 -84.56 3 4 2 39 252.406 7 ↓
Mid Mid (pH 6-8) 1.14 9.43 -124.5 3 4 2 39 252.406 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 8.04 -40.82 2 4 1 38 265.425 7 ↓
Mid Mid (pH 6-8) 1.66 8.55 -80.76 3 4 2 39 266.433 7 ↓
Mid Mid (pH 6-8) 1.66 9.87 -123.65 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 8.06 -40.81 2 4 1 38 265.425 7 ↓
Mid Mid (pH 6-8) 1.66 8.57 -83.82 3 4 2 39 266.433 7 ↓
Mid Mid (pH 6-8) 1.66 9.88 -123.42 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 8.52 -43.92 2 4 1 38 265.425 8 ↓
Mid Mid (pH 6-8) 1.24 10.86 -190.59 4 4 3 40 267.441 8 ↓
Mid Mid (pH 6-8) 1.24 9.05 -83.93 3 4 2 39 266.433 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 8.55 -44.19 2 4 1 38 265.425 8 ↓
Mid Mid (pH 6-8) 1.24 10.38 -128.84 3 4 2 39 266.433 8 ↓
Mid Mid (pH 6-8) 1.24 10.89 -193.7 4 4 3 40 267.441 8 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 7.3 -86.12 3 5 2 45 268.405 9 ↓
Hi High (pH 8-9.5) 0.10 4.53 -7.12 1 5 0 42 266.389 9 ↓
Mid Mid (pH 6-8) 0.10 6.74 -81.94 3 5 2 48 268.405 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R)-1-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 6.62 -91.1 3 5 2 45 268.405 9 ↓
Hi High (pH 8-9.5) 0.10 3.77 -7.42 1 5 0 42 266.389 9 ↓
Mid Mid (pH 6-8) 0.10 6.11 -43.3 2 5 1 44 267.397 9 ↓

Analogs

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Popular Name: (3S)-1-(3-imidazol-1-ylpropyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3-imidazol-1-ylpropyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 9.48 -95.03 2 5 1 64 238.311 5 ↓
Mid Mid (pH 6-8) 0.29 8.97 -57.86 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: (3R)-1-(3-imidazol-1-ylpropyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3-imidazol-1-ylpropyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 9.46 -96 2 5 1 64 238.311 5 ↓
Mid Mid (pH 6-8) 0.29 8.95 -57.21 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-imidazol-1-ylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 10.01 -87.85 2 5 1 64 252.338 6 ↓
Mid Mid (pH 6-8) 0.62 9.49 -53.38 1 5 0 62 251.33 6 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-imidazol-1-ylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 9.96 -94.75 2 5 1 64 252.338 6 ↓
Mid Mid (pH 6-8) 0.62 9.44 -55.72 1 5 0 62 251.33 6 ↓

Analogs

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Popular Name: (3S)-1-(3-imidazol-1-ylpropyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-imidazol-1-ylpropyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 10.82 -89.16 2 5 1 64 266.365 7 ↓
Mid Mid (pH 6-8) 1.18 10.3 -53.81 1 5 0 62 265.357 7 ↓

Analogs

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Popular Name: (3R)-1-(3-imidazol-1-ylpropyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3-imidazol-1-ylpropyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 10.72 -94.96 2 5 1 64 266.365 7 ↓
Mid Mid (pH 6-8) 1.18 10.21 -55.72 1 5 0 62 265.357 7 ↓

Analogs

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Popular Name: [(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methanamine [(2R)-1-(3-imidazol-1-ylpropyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.51 4.37 -49.02 3 4 1 49 209.317 5 ↓
Mid Mid (pH 6-8) -0.51 6.18 -131.07 4 4 2 50 210.325 5 ↓
Mid Mid (pH 6-8) -0.51 4.88 -87.92 4 4 2 50 210.325 5 ↓

Analogs

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Popular Name: [(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methanamine [(2S)-1-(3-imidazol-1-ylpropyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.51 4.38 -49.04 3 4 1 49 209.317 5 ↓
Mid Mid (pH 6-8) -0.51 6.19 -130.79 4 4 2 50 210.325 5 ↓
Mid Mid (pH 6-8) -0.51 4.9 -91.24 4 4 2 50 210.325 5 ↓

Analogs

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Popular Name: (2R)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic (2R)-1-(3-imidazol-1-ylpropyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.53 9.08 -77.57 2 5 1 64 224.284 5 ↓
Mid Mid (pH 6-8) -1.53 8.57 -41.78 1 5 0 62 223.276 5 ↓

Analogs

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Popular Name: (2S)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic (2S)-1-(3-imidazol-1-ylpropyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.53 9.07 -75 2 5 1 64 224.284 5 ↓
Mid Mid (pH 6-8) -1.53 8.56 -42.6 1 5 0 62 223.276 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3-imidazol-1-ylpropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 9.3 -91.92 2 5 1 64 238.311 6 ↓
Mid Mid (pH 6-8) 0.20 8.79 -54.08 1 5 0 62 237.303 6 ↓

Analogs

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Popular Name: 2-[(2S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3-imidazol-1-ylpropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 9.72 -67.31 2 5 1 64 238.311 6 ↓
Mid Mid (pH 6-8) 0.20 9.21 -40.74 1 5 0 62 237.303 6 ↓

Parameters Provided:

ring.id = 104338
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 104338 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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